6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

C19H28N3O+ — CID 7212957

IUPAC6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCC[C@H](C)C1
InChIInChI=1S/C19H27N3O/c1-13-6-5-9-22(11-13)12-17-14(2)20-18-8-7-15(21(3)4)10-16(18)19(17)23/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,20,23)/p+1/t13-/m0/s1
InChIKeyXCHYXSOBLQFCNN-ZDUSSCGKSA-O
MW314.45 g/mol
LogP1.72
Rot. Bonds3

About 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 7212957) has the molecular formula C19H28N3O+ and a molecular weight of 314.45 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
PubChem CID7212957
Molecular FormulaC19H28N3O+
Molecular Weight314.45 g/mol
Exact Mass314.22
IUPAC Name6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCC[C@H](C)C1
InChIInChI=1S/C19H27N3O/c1-13-6-5-9-22(11-13)12-17-14(2)20-18-8-7-15(21(3)4)10-16(18)19(17)23/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,20,23)/p+1/t13-/m0/s1
InChIKeyXCHYXSOBLQFCNN-ZDUSSCGKSA-O
XLogP1.72
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212509
6-ethoxy-2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3252291
6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 6973135
6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 5216381
2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one
CID 7212941
6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
CID 4550810
7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3368624
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one
CID 3391700
6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212656
6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3601199
ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate
CID 4614042

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (CID 7212957) is 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCC[C@H](C)C1.
What is the InChIKey of 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is XCHYXSOBLQFCNN-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H27N3O/c1-13-6-5-9-22(11-13)12-17-14(2)20-18-8-7-15(21(3)4)10-16(18)19(17)23/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,20,23)/p+1/t13-/m0/s1.
What are the key properties of 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 314.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 7212957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).